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Process optimization of chiral extraction of 2,3-diphenylpropionic acid by experiment and simulation

Wang, Wanru, Xu, Weifeng, Dai, Guilin, Zhang, Panliang, Tang, Kewen
Process biochemistry 2019 v.76 pp. 178-186
enantiomers, models, pH, separators, solvents, thermodynamics
This paper reports the process optimization of chiral extraction of 2,3-diphenylpropionic acid (2,3-2-PPA) enantiomers by experiment and simulation in centrifugal contactor separators. An efficient extraction system was obtained firstly through single-stage extraction experiments and single-stage extraction model, where sulfobutylether-β-cyclodextrin (SBE-β-CD) and 1,2-dichlorethane were selected as the optimal extractant and organic solvent, respectively. The mechanism of the extraction system was proposed and the thermodynamic constants such as physical partition coefficient and reactive equilibrium constants were obtained. Based on phase and reactive equilibrium as well as the law of mass conservation, a model describing the fractional extraction process was acquired. The process of symmetrical separation of 2,3-2-PPA enantiomers was optimized by the fractional extraction model. The optimal conditions composed of flow rate ratio (W/O) of 3.0, pH of 3.00 and SBE-β-CD concentration of 0.10 mol/L were obtained. Under this case, equal enantiomeric excess (eeeq) can reach up to 37% at 10 stages. The simulated results reveal that the minimum series for eeeq > 97% and eeeq > 99% was 78 and 102, respectively.